ethyl 6-[4-(phenylmethyl)sulfonylpiperazin-1-yl]pyridine-3-carboxylate

Systemtic Name: ethyl 6-[4-(phenylmethyl)sulfonylpiperazin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 6-(4-benzylsulfonylpiperazin-1-yl)pyridine-3-carboxylate CAS Name: 6-[4-(phenylmethyl)sulfonyl-1-piperazinyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-(4-benzylsulfonylpiperazin-1-yl)pyridine-3-carboxylate Traditional Name: 6-(4-benzylsulfonylpiperazino)nicotinic acid ethyl ester Formula: C19H23N3O4S MolecularWeight: 389.46862

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C=C1)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CN=C(C=C1)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C19H23N3O4S/c1-2-26-19(23)17-8-9-18(20-14-17)21-10-12-22(13-11-21)27(24,25)15-16-6-4-3-5-7-16/h3-9,14H,2,10-13,15H2,1H3